SCHEMBL11851900

SCHEMBL11851900

CCCCC(CC)C/C(C(=O)O)=C(/C(=O)O)C(CC)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CA2 P00918 5/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
BCL2L1 Q07817 1/20 0.30
CA1 P00915 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11853680 0.81 RECQL (0.48) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL11853940 0.80 FNTA (0.40) RECQLCA2ALDH1A1TSHRTDP1
SCHEMBL3514271 0.80 CA2 (0.42) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL3514267 0.80 CA2 (0.42) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL183724 0.79 CA2 (0.50) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL226707 0.79 CA2 (0.50) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL225441 0.79 CA2 (0.50) RECQLCA2ALDH1A1CYP3A4TSHR
SCHEMBL3666398 0.78 FNTA (0.49) ALDH1A1TSHRTDP1
SCHEMBL11863545 0.78 FNTA (0.49) ALDH1A1TSHRTDP1
SCHEMBL3674450 0.78 FNTA (0.49) ALDH1A1TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980622-A Polymerizable emulsifying agent and application thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-09-14 US disclosed